Geometry & MOs

Info

ID:	105919
PubChem CID:	50142574
Reduced:	ClO4N5C32H36 (1)
Stoich.:	AB4C5D32E36 (1)
Weight, g/mol:	569.300205
ΔH_f, kcal/mol:	-133.58
Dipole, Da:	4.85
IP(EA), eV:	-8.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations